2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

C20H30BrN5 — CID 84745756

IUPAC2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCNCC(c1nc(-c2ccccc2)n(C)c1Br)N1CCN(C(C)C)CC1
InChIInChI=1S/C20H30BrN5/c1-15(2)25-10-12-26(13-11-25)17(14-22-3)18-19(21)24(4)20(23-18)16-8-6-5-7-9-16/h5-9,15,17,22H,10-14H2,1-4H3
InChIKeyZQMLSKXOLMWFEM-UHFFFAOYSA-N
MW420.40 g/mol
LogP3.14
Rot. Bonds6

About 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine

2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (PubChem CID 84745756) has the molecular formula C20H30BrN5 and a molecular weight of 420.40 g/mol. Its IUPAC name is 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
PubChem CID84745756
Molecular FormulaC20H30BrN5
Molecular Weight420.40 g/mol
Exact Mass419.17
IUPAC Name2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
SMILESCNCC(c1nc(-c2ccccc2)n(C)c1Br)N1CCN(C(C)C)CC1
InChIInChI=1S/C20H30BrN5/c1-15(2)25-10-12-26(13-11-25)17(14-22-3)18-19(21)24(4)20(23-18)16-8-6-5-7-9-16/h5-9,15,17,22H,10-14H2,1-4H3
InChIKeyZQMLSKXOLMWFEM-UHFFFAOYSA-N
XLogP3.14
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine (CID 84745756) is 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is CNCC(c1nc(-c2ccccc2)n(C)c1Br)N1CCN(C(C)C)CC1.
What is the InChIKey of 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is ZQMLSKXOLMWFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BrN5/c1-15(2)25-10-12-26(13-11-25)17(14-22-3)18-19(21)24(4)20(23-18)16-8-6-5-7-9-16/h5-9,15,17,22H,10-14H2,1-4H3.
What are the key properties of 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine?
2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 420.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84745756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).